Materials Data on Ta5N6 by Materials Project

doi:10.17188/1206883

Title: Materials Data on Ta5N6 by Materials Project

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Abstract

Ta5N6 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta+3.60+ sites. In the first Ta+3.60+ site, Ta+3.60+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. All Ta–N bond lengths are 2.25 Å. In the second Ta+3.60+ site, Ta+3.60+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. There are two shorter (2.17 Å) and four longer (2.27 Å) Ta–N bond lengths. N3- is bonded in a 5-coordinate geometry to five Ta+3.60+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-34761

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Ta5N6; N-Ta

OSTI Identifier:: 1206883

DOI:: https://doi.org/10.17188/1206883

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                    The Materials Project. Materials Data on Ta5N6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206883.

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                    The Materials Project. Materials Data on Ta5N6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206883

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                    The Materials Project. 2020.  
"Materials Data on Ta5N6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206883.  https://www.osti.gov/servlets/purl/1206883. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1206883,

  title        = {Materials Data on Ta5N6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta5N6 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta+3.60+ sites. In the first Ta+3.60+ site, Ta+3.60+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. All Ta–N bond lengths are 2.25 Å. In the second Ta+3.60+ site, Ta+3.60+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. There are two shorter (2.17 Å) and four longer (2.27 Å) Ta–N bond lengths. N3- is bonded in a 5-coordinate geometry to five Ta+3.60+ atoms.},

  doi          = {10.17188/1206883},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206883

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